CID 16077265

913741-90-9

Structural Information

Molecular Formula
C24H26N2O3
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H26N2O3/c27-22-15-19(16-26(22)21-12-5-2-6-13-21)24(29)25-20-11-7-10-18(14-20)23(28)17-8-3-1-4-9-17/h1,3-4,7-11,14,19,21H,2,5-6,12-13,15-16H2,(H,25,29)
InChIKey
AGVTVUMUDZYOCL-UHFFFAOYSA-N
Compound name
N-(3-benzoylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.19434 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.20162 194.1
[M+Na]+ 413.18356 195.2
[M-H]- 389.18706 203.8
[M+NH4]+ 408.22816 203.8
[M+K]+ 429.15750 190.1
[M+H-H2O]+ 373.19160 183.3
[M+HCOO]- 435.19254 210.0
[M+CH3COO]- 449.20819 221.6
[M+Na-2H]- 411.16901 190.2
[M]+ 390.19379 186.7
[M]- 390.19489 186.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.